SCHEMBL7703665

SCHEMBL7703665

O=C(O)Nc1cc(N2CCC(OCCOC3CCCCO3)CC2)c(-c2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-c2ncc[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCP P55072 11/20 0.36
CCR3 P51677 1/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HCRTR1 O43613 1/20 0.33
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
F11 P03951 2/20 0.32
KLKB1 P03952 2/20 0.32
MCHR1 Q99705 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7703659 0.87 UCHL1 (0.36) VCPCCR3UCHL1USP30HCRTR1
SCHEMBL7145195 0.79 KDM4D (0.34) CCR3
SCHEMBL7698442 0.78 CCR3 (0.36) VCPCCR3HCRTR1
SCHEMBL7699418 0.76 CCR3 (0.34) CCR3
SCHEMBL7703166 0.74 VCP (0.34) VCPCCR3UCHL1USP30HCRTR1
SCHEMBL7698696 0.74 VCP (0.41) VCPCCR3
SCHEMBL7702841 0.73 VCP (0.42) VCP
SCHEMBL7141841 0.73 KDM4D (0.35) CCR3
SCHEMBL7703096 0.71 VCP (0.42) VCP
SCHEMBL7143444 0.71 KDM4D (0.35) CCR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed